CID 76662195

7-chlorothiazolo[4,5-d]pyrimidine

Structural Information

Molecular Formula

C₅H₂ClN₃S

SMILES

C1=NC2=C(C(=N1)Cl)SC=N2

InChI

InChI=1S/C5H2ClN3S/c6-4-3-5(8-1-7-4)9-2-10-3/h1-2H

InChIKey

HEDFORGLTJFFOL-UHFFFAOYSA-N

Compound name

7-chloro-[1,3]thiazolo[4,5-d]pyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 170.96579 Da
Monoisotopic Mass: 2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	171.97307	126.1
[M+Na]+	193.95501	140.2
[M-H]-	169.95851	128.0
[M+NH4]+	188.99961	147.4
[M+K]+	209.92895	135.9
[M+H-H2O]+	153.96305	120.1
[M+HCOO]-	215.96399	140.5
[M+CH3COO]-	229.97964	141.0
[M+Na-2H]-	191.94046	133.0
[M]+	170.96524	131.6
[M]-	170.96634	131.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe